Organic acids and derivatives
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Sodium Ascorbate, Powder, USP, 99-101%, Spectrum™ Chemical
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CAS: 134-03-2 Molecular Formula: C6H7NaO6 Molecular Weight (g/mol): 198.11 InChI Key: IFVCRSPJFHGFCG-HXPAKLQESA-N IUPAC Name: sodium 5-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-2,4-dioxooxolan-3-ide SMILES: [Na+].OC[C@H](O)C1OC(=O)[C-](O)C1=O
| CAS | 134-03-2 |
|---|---|
| Molecular Weight (g/mol) | 198.11 |
| SMILES | [Na+].OC[C@H](O)C1OC(=O)[C-](O)C1=O |
| IUPAC Name | sodium 5-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-2,4-dioxooxolan-3-ide |
| InChI Key | IFVCRSPJFHGFCG-HXPAKLQESA-N |
| Molecular Formula | C6H7NaO6 |
o-Tolylacetic acid, 99%
CAS: 644-36-0 Molecular Formula: C9H10O2 Molecular Weight (g/mol): 150.177 MDL Number: MFCD00004328 InChI Key: RZWGTXHSYZGXKF-UHFFFAOYSA-N Synonym: o-tolylacetic acid,2-methylphenylacetic acid,2-methylphenyl acetic acid,2-2-methylphenyl acetic acid,2-o-tolyl acetic acid,2-tolylacetic acid,2-o-tolylacetic acid,o-methylphenylacetic acid,o-tolyacetic acid PubChem CID: 69519 IUPAC Name: 2-(2-methylphenyl)acetic acid SMILES: CC1=CC=CC=C1CC(=O)O
| PubChem CID | 69519 |
|---|---|
| CAS | 644-36-0 |
| Molecular Weight (g/mol) | 150.177 |
| MDL Number | MFCD00004328 |
| SMILES | CC1=CC=CC=C1CC(=O)O |
| Synonym | o-tolylacetic acid,2-methylphenylacetic acid,2-methylphenyl acetic acid,2-2-methylphenyl acetic acid,2-o-tolyl acetic acid,2-tolylacetic acid,2-o-tolylacetic acid,o-methylphenylacetic acid,o-tolyacetic acid |
| IUPAC Name | 2-(2-methylphenyl)acetic acid |
| InChI Key | RZWGTXHSYZGXKF-UHFFFAOYSA-N |
| Molecular Formula | C9H10O2 |
Ethyl carbazate, 97%
CAS: 4114-31-2 Molecular Formula: C3H8N2O2 Molecular Weight (g/mol): 104.109 MDL Number: MFCD00007595 InChI Key: VYSYZMNJHYOXGN-UHFFFAOYSA-N Synonym: ethyl carbazate,ethyl hydrazinecarboxylate,ethoxycarbohydrazide,hydrazinecarboxylic acid, ethyl ester,carbethoxyhydrazine,ethylcarbazate,ethyl carbazinate,carboethoxyhydrazine,monocarbethoxyhydrazine,n-carbethoxy hydrazine PubChem CID: 20064 IUPAC Name: ethyl N-aminocarbamate SMILES: CCOC(=O)NN
| PubChem CID | 20064 |
|---|---|
| CAS | 4114-31-2 |
| Molecular Weight (g/mol) | 104.109 |
| MDL Number | MFCD00007595 |
| SMILES | CCOC(=O)NN |
| Synonym | ethyl carbazate,ethyl hydrazinecarboxylate,ethoxycarbohydrazide,hydrazinecarboxylic acid, ethyl ester,carbethoxyhydrazine,ethylcarbazate,ethyl carbazinate,carboethoxyhydrazine,monocarbethoxyhydrazine,n-carbethoxy hydrazine |
| IUPAC Name | ethyl N-aminocarbamate |
| InChI Key | VYSYZMNJHYOXGN-UHFFFAOYSA-N |
| Molecular Formula | C3H8N2O2 |
2-(Dimethylamino)ethyl methacrylate, 97%, stab. with ca 0.2% 4-methoxyphenol
CAS: 2867-47-2 Molecular Formula: C8H15NO2 Molecular Weight (g/mol): 157.213 MDL Number: MFCD00008589 InChI Key: JKNCOURZONDCGV-UHFFFAOYSA-N Synonym: 2-dimethylamino ethyl methacrylate,dimethylaminoethyl methacrylate,ageflex fm-1,dmaema,usaf rh-3,2-propenoic acid, 2-methyl-, 2-dimethylamino ethyl ester,2-n,n-dimethylamino ethyl methacrylate,n,n-dimethylaminoethyl methacrylate,2-dimethylaminoethyl methacrylate,n,n-dimethylethanolamine methacrylate PubChem CID: 17869 IUPAC Name: 2-(dimethylamino)ethyl 2-methylprop-2-enoate SMILES: CC(=C)C(=O)OCCN(C)C
| PubChem CID | 17869 |
|---|---|
| CAS | 2867-47-2 |
| Molecular Weight (g/mol) | 157.213 |
| MDL Number | MFCD00008589 |
| SMILES | CC(=C)C(=O)OCCN(C)C |
| Synonym | 2-dimethylamino ethyl methacrylate,dimethylaminoethyl methacrylate,ageflex fm-1,dmaema,usaf rh-3,2-propenoic acid, 2-methyl-, 2-dimethylamino ethyl ester,2-n,n-dimethylamino ethyl methacrylate,n,n-dimethylaminoethyl methacrylate,2-dimethylaminoethyl methacrylate,n,n-dimethylethanolamine methacrylate |
| IUPAC Name | 2-(dimethylamino)ethyl 2-methylprop-2-enoate |
| InChI Key | JKNCOURZONDCGV-UHFFFAOYSA-N |
| Molecular Formula | C8H15NO2 |
Ethyl 1-(hydroxymethyl)cyclopentanecarboxylate, 97%, Thermo Scientific Chemicals
CAS: 1075-82-7 Molecular Formula: C9H16O3 Molecular Weight (g/mol): 172.224 MDL Number: MFCD12022629 InChI Key: AUUICUZWYQYTNO-UHFFFAOYSA-N Synonym: ethyl 1-hydroxymethyl cyclopentanecarboxylate,ethyl 1-hydroxymethyl cyclopentane-1-carboxylate,1-hydroxymethyl-cyclopentanecarboxylic acid ethyl ester PubChem CID: 46172884 IUPAC Name: ethyl 1-(hydroxymethyl)cyclopentane-1-carboxylate SMILES: CCOC(=O)C1(CCCC1)CO
| PubChem CID | 46172884 |
|---|---|
| CAS | 1075-82-7 |
| Molecular Weight (g/mol) | 172.224 |
| MDL Number | MFCD12022629 |
| SMILES | CCOC(=O)C1(CCCC1)CO |
| Synonym | ethyl 1-hydroxymethyl cyclopentanecarboxylate,ethyl 1-hydroxymethyl cyclopentane-1-carboxylate,1-hydroxymethyl-cyclopentanecarboxylic acid ethyl ester |
| IUPAC Name | ethyl 1-(hydroxymethyl)cyclopentane-1-carboxylate |
| InChI Key | AUUICUZWYQYTNO-UHFFFAOYSA-N |
| Molecular Formula | C9H16O3 |
Diethyl trans-1,2-cyclopropanedicarboxylate, 97%
CAS: 3999-55-1 Molecular Formula: C9H14O4 Molecular Weight (g/mol): 186.21 MDL Number: MFCD00198002 InChI Key: SXLDHZFJMXLFJU-RNFRBKRXSA-N Synonym: diethyl trans-1,2-cyclopropanedicarboxylate,trans-diethyl cyclopropane-1,2-dicarboxylate,diethyl trans-cyclopropane-1,2-dicarboxylate,1r,2r-diethyl cyclopropane-1,2-dicarboxylate,diethyl 1r,2r-cyclopropane-1,2-dicarboxylate,1,2-cyclopropanedicarboxylic acid, diethyl ester, 1r,2r-rel,1,2-cyclopropanedicarboxylicacid, 1,3-diethyl ester, 1r,2r-rel,1s,2s-diethyl cyclopropane-1,2-dicarboxylate,diethyltrans-cyclopropane-1,2-dicarboxylate,trans-1,2-diethoxycarbonyl-cyclopropane PubChem CID: 11715303 IUPAC Name: diethyl (1R,2R)-cyclopropane-1,2-dicarboxylate SMILES: CCOC(=O)C1CC1C(=O)OCC
| PubChem CID | 11715303 |
|---|---|
| CAS | 3999-55-1 |
| Molecular Weight (g/mol) | 186.21 |
| MDL Number | MFCD00198002 |
| SMILES | CCOC(=O)C1CC1C(=O)OCC |
| Synonym | diethyl trans-1,2-cyclopropanedicarboxylate,trans-diethyl cyclopropane-1,2-dicarboxylate,diethyl trans-cyclopropane-1,2-dicarboxylate,1r,2r-diethyl cyclopropane-1,2-dicarboxylate,diethyl 1r,2r-cyclopropane-1,2-dicarboxylate,1,2-cyclopropanedicarboxylic acid, diethyl ester, 1r,2r-rel,1,2-cyclopropanedicarboxylicacid, 1,3-diethyl ester, 1r,2r-rel,1s,2s-diethyl cyclopropane-1,2-dicarboxylate,diethyltrans-cyclopropane-1,2-dicarboxylate,trans-1,2-diethoxycarbonyl-cyclopropane |
| IUPAC Name | diethyl (1R,2R)-cyclopropane-1,2-dicarboxylate |
| InChI Key | SXLDHZFJMXLFJU-RNFRBKRXSA-N |
| Molecular Formula | C9H14O4 |
n-Tetradecanamide, 98%
CAS: 638-58-4 Molecular Formula: C14H29NO Molecular Weight (g/mol): 227.392 MDL Number: MFCD00025533 InChI Key: QEALYLRSRQDCRA-UHFFFAOYSA-N Synonym: myristamide,n-tetradecanamide,myristic amide,myristic acid amide,tetradecylamide,unii-a269j8qg0o,myristicamide,tetradecanoic acid amide,chembl88158 PubChem CID: 69492 IUPAC Name: tetradecanamide SMILES: CCCCCCCCCCCCCC(=O)N
| PubChem CID | 69492 |
|---|---|
| CAS | 638-58-4 |
| Molecular Weight (g/mol) | 227.392 |
| MDL Number | MFCD00025533 |
| SMILES | CCCCCCCCCCCCCC(=O)N |
| Synonym | myristamide,n-tetradecanamide,myristic amide,myristic acid amide,tetradecylamide,unii-a269j8qg0o,myristicamide,tetradecanoic acid amide,chembl88158 |
| IUPAC Name | tetradecanamide |
| InChI Key | QEALYLRSRQDCRA-UHFFFAOYSA-N |
| Molecular Formula | C14H29NO |
Urea, Ultra Pure, 5kg, MP Biomedicals
CAS: 57-13-6 Molecular Formula: CH4N2O Molecular Weight (g/mol): 60.056 InChI Key: XSQUKJJJFZCRTK-UHFFFAOYSA-N Synonym: carbamide,isourea,carbonyldiamide,ureophil,carbonyldiamine,carbamimidic acid,pseudourea,ureaphil,urevert,alphadrate PubChem CID: 1176 ChEBI: CHEBI:48376 IUPAC Name: urea SMILES: C(=O)(N)N
| PubChem CID | 1176 |
|---|---|
| CAS | 57-13-6 |
| Molecular Weight (g/mol) | 60.056 |
| ChEBI | CHEBI:48376 |
| SMILES | C(=O)(N)N |
| Synonym | carbamide,isourea,carbonyldiamide,ureophil,carbonyldiamine,carbamimidic acid,pseudourea,ureaphil,urevert,alphadrate |
| IUPAC Name | urea |
| InChI Key | XSQUKJJJFZCRTK-UHFFFAOYSA-N |
| Molecular Formula | CH4N2O |
Ethyl alpha-bromophenylacetate, 97%
CAS: 2882-19-1 Molecular Formula: C10H11BrO2 Molecular Weight (g/mol): 243.10 MDL Number: MFCD00013536 InChI Key: BKTKLDMYHTUESO-UHFFFAOYNA-N Synonym: ethyl alpha-bromophenylacetate,ethyl bromophenylacetate,ethyl bromo phenyl acetate,ethyl-alpha-bromophenyl acetate,ethyl-.alpha.-bromophenyl acetate,benzeneacetic acid, .alpha.-bromo-, ethyl ester,bromo-phenyl-acetic acid ethyl ester,benzeneacetic acid, alpha-bromo-, ethyl ester,eyr&vo2,ethylbromo phenyl acetate PubChem CID: 97780 IUPAC Name: ethyl 2-bromo-2-phenylacetate SMILES: CCOC(=O)C(Br)C1=CC=CC=C1
| PubChem CID | 97780 |
|---|---|
| CAS | 2882-19-1 |
| Molecular Weight (g/mol) | 243.10 |
| MDL Number | MFCD00013536 |
| SMILES | CCOC(=O)C(Br)C1=CC=CC=C1 |
| Synonym | ethyl alpha-bromophenylacetate,ethyl bromophenylacetate,ethyl bromo phenyl acetate,ethyl-alpha-bromophenyl acetate,ethyl-.alpha.-bromophenyl acetate,benzeneacetic acid, .alpha.-bromo-, ethyl ester,bromo-phenyl-acetic acid ethyl ester,benzeneacetic acid, alpha-bromo-, ethyl ester,eyr&vo2,ethylbromo phenyl acetate |
| IUPAC Name | ethyl 2-bromo-2-phenylacetate |
| InChI Key | BKTKLDMYHTUESO-UHFFFAOYNA-N |
| Molecular Formula | C10H11BrO2 |
3-(4-Carboxyphenyl)propionic acid, 98%
CAS: 38628-51-2 Molecular Formula: C10H10O4 Molecular Weight (g/mol): 194.19 MDL Number: MFCD00016560 InChI Key: QSPCOYVUYYFWAU-UHFFFAOYSA-N Synonym: 4-2-carboxyethyl benzoic acid,3-4-carboxyphenyl propionic acid,3-4-carboxyphenyl propanoic acid,benzenepropanoic acid, 4-carboxy,pubchem19268,acmc-1ctf7,4-carboxyhydrocinnamic acid,4-carboxybenzenepropionic acid,4-2-carboxyethyl benzoicacid,carboxyphenylpropionicacid; 985 PubChem CID: 854054 IUPAC Name: 4-(2-carboxyethyl)benzoic acid SMILES: OC(=O)CCC1=CC=C(C=C1)C(O)=O
| PubChem CID | 854054 |
|---|---|
| CAS | 38628-51-2 |
| Molecular Weight (g/mol) | 194.19 |
| MDL Number | MFCD00016560 |
| SMILES | OC(=O)CCC1=CC=C(C=C1)C(O)=O |
| Synonym | 4-2-carboxyethyl benzoic acid,3-4-carboxyphenyl propionic acid,3-4-carboxyphenyl propanoic acid,benzenepropanoic acid, 4-carboxy,pubchem19268,acmc-1ctf7,4-carboxyhydrocinnamic acid,4-carboxybenzenepropionic acid,4-2-carboxyethyl benzoicacid,carboxyphenylpropionicacid; 985 |
| IUPAC Name | 4-(2-carboxyethyl)benzoic acid |
| InChI Key | QSPCOYVUYYFWAU-UHFFFAOYSA-N |
| Molecular Formula | C10H10O4 |
4-Benzyloxy-2-methylbenzeneboronic acid, 98%
CAS: 847560-49-0 Molecular Formula: C14H15BO3 Molecular Weight (g/mol): 242.081 MDL Number: MFCD03788404 InChI Key: VCDFDGOVNBMYRW-UHFFFAOYSA-N Synonym: 4-benzyloxy-2-methylphenylboronic acid,4-benzyloxy-2-methylphenyl boronic acid,4-benzyloxy-2-methylbenzeneboronic acid,5-benzyloxytoluene-2-boronic acid,acmc-209pwd,2-methyl-4-benzyloxyphenylboronic acid,4-benzyloxy-2-methylphenyl boronicacid PubChem CID: 2773245 IUPAC Name: (2-methyl-4-phenylmethoxyphenyl)boronic acid SMILES: B(C1=C(C=C(C=C1)OCC2=CC=CC=C2)C)(O)O
| PubChem CID | 2773245 |
|---|---|
| CAS | 847560-49-0 |
| Molecular Weight (g/mol) | 242.081 |
| MDL Number | MFCD03788404 |
| SMILES | B(C1=C(C=C(C=C1)OCC2=CC=CC=C2)C)(O)O |
| Synonym | 4-benzyloxy-2-methylphenylboronic acid,4-benzyloxy-2-methylphenyl boronic acid,4-benzyloxy-2-methylbenzeneboronic acid,5-benzyloxytoluene-2-boronic acid,acmc-209pwd,2-methyl-4-benzyloxyphenylboronic acid,4-benzyloxy-2-methylphenyl boronicacid |
| IUPAC Name | (2-methyl-4-phenylmethoxyphenyl)boronic acid |
| InChI Key | VCDFDGOVNBMYRW-UHFFFAOYSA-N |
| Molecular Formula | C14H15BO3 |
Triethyl 1,3,5-benzenetricarboxylate, 97%
CAS: 4105-92-4 Molecular Formula: C15H18O6 Molecular Weight (g/mol): 294.303 MDL Number: MFCD00236389 InChI Key: KXGOWZRHSOJOLF-UHFFFAOYSA-N Synonym: triethyl trimesate,1,3,5-benzenetricarboxylic acid, triethyl ester,trimesic acid triethyl ester,triethyl 1,3,5-benzenetricarboxylate,ethyl 3,5-bis ethoxycarbonyl benzoate,1,3,5-triethyl benzene-1,3,5-tricarboxylate,acmc-20a6fr,bzta02,1,3,5-tri ethoxycarbonyl benzene,triethyl 1,5-benzenetricarboxylate PubChem CID: 226764 IUPAC Name: triethyl benzene-1,3,5-tricarboxylate SMILES: CCOC(=O)C1=CC(=CC(=C1)C(=O)OCC)C(=O)OCC
| PubChem CID | 226764 |
|---|---|
| CAS | 4105-92-4 |
| Molecular Weight (g/mol) | 294.303 |
| MDL Number | MFCD00236389 |
| SMILES | CCOC(=O)C1=CC(=CC(=C1)C(=O)OCC)C(=O)OCC |
| Synonym | triethyl trimesate,1,3,5-benzenetricarboxylic acid, triethyl ester,trimesic acid triethyl ester,triethyl 1,3,5-benzenetricarboxylate,ethyl 3,5-bis ethoxycarbonyl benzoate,1,3,5-triethyl benzene-1,3,5-tricarboxylate,acmc-20a6fr,bzta02,1,3,5-tri ethoxycarbonyl benzene,triethyl 1,5-benzenetricarboxylate |
| IUPAC Name | triethyl benzene-1,3,5-tricarboxylate |
| InChI Key | KXGOWZRHSOJOLF-UHFFFAOYSA-N |
| Molecular Formula | C15H18O6 |
beta-D-Galactose pentaacetate, 98%
CAS: 4163-60-4 Molecular Formula: C16H22O11 Molecular Weight (g/mol): 390.341 MDL Number: MFCD00063259 InChI Key: LPTITAGPBXDDGR-LYYZXLFJSA-N Synonym: beta-d-galactose pentaacetate,penta-o-acetyl-beta-d-galactopyranose,b-d-galactose pentaacetate,beta-d-galactopyranose pentaacetate,beta-d-galactosepentaacetate,beta-d-galactopyranose, pentaacetate,2s,3r,4s,5s,6r-6-acetoxymethyl tetrahydro-2h-pyran-2,3,4,5-tetrayl tetraacetate,1,2,3,4,6-penta-o-acetyl-beta-d-galactose,1,2,3,4,6-penta-o-acetyl-beta-d-galactopyranose,2r,3s,4s,5r,6s-3,4,5,6-tetrakis acetyloxy oxan-2-yl methyl acetate PubChem CID: 94752 IUPAC Name: [(2R,3S,4S,5R,6S)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate SMILES: CC(=O)OCC1C(C(C(C(O1)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
| PubChem CID | 94752 |
|---|---|
| CAS | 4163-60-4 |
| Molecular Weight (g/mol) | 390.341 |
| MDL Number | MFCD00063259 |
| SMILES | CC(=O)OCC1C(C(C(C(O1)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C |
| Synonym | beta-d-galactose pentaacetate,penta-o-acetyl-beta-d-galactopyranose,b-d-galactose pentaacetate,beta-d-galactopyranose pentaacetate,beta-d-galactosepentaacetate,beta-d-galactopyranose, pentaacetate,2s,3r,4s,5s,6r-6-acetoxymethyl tetrahydro-2h-pyran-2,3,4,5-tetrayl tetraacetate,1,2,3,4,6-penta-o-acetyl-beta-d-galactose,1,2,3,4,6-penta-o-acetyl-beta-d-galactopyranose,2r,3s,4s,5r,6s-3,4,5,6-tetrakis acetyloxy oxan-2-yl methyl acetate |
| IUPAC Name | [(2R,3S,4S,5R,6S)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate |
| InChI Key | LPTITAGPBXDDGR-LYYZXLFJSA-N |
| Molecular Formula | C16H22O11 |
5-Hydroxyquinoline, 99%
CAS: 578-67-6 Molecular Formula: C9H7NO Molecular Weight (g/mol): 145.161 MDL Number: MFCD00006792 InChI Key: GVNQVWJYDXOLST-UHFFFAOYSA-N Synonym: 5-hydroxyquinoline,quinolin-5-ol,5-quinolinol,5-chinolinol,ccris 4330,gyesayhwismzok-uhfffaoysa-n,5-hydroxyquinoline 5-quinolinol,quinolin-5-one,5-hyroxyquinoline,5-hydroxy quinoline PubChem CID: 11360 IUPAC Name: 1H-quinolin-5-one SMILES: C1=CC(=O)C2=CC=CNC2=C1
| PubChem CID | 11360 |
|---|---|
| CAS | 578-67-6 |
| Molecular Weight (g/mol) | 145.161 |
| MDL Number | MFCD00006792 |
| SMILES | C1=CC(=O)C2=CC=CNC2=C1 |
| Synonym | 5-hydroxyquinoline,quinolin-5-ol,5-quinolinol,5-chinolinol,ccris 4330,gyesayhwismzok-uhfffaoysa-n,5-hydroxyquinoline 5-quinolinol,quinolin-5-one,5-hyroxyquinoline,5-hydroxy quinoline |
| IUPAC Name | 1H-quinolin-5-one |
| InChI Key | GVNQVWJYDXOLST-UHFFFAOYSA-N |
| Molecular Formula | C9H7NO |
trans-Indole-3-acrylic acid, 98+%
CAS: 29953-71-7 Molecular Formula: C11H9NO2 Molecular Weight (g/mol): 187.198 MDL Number: MFCD00005633 InChI Key: PLVPPLCLBIEYEA-AATRIKPKSA-N Synonym: 3-indoleacrylic acid,trans-3-indoleacrylic acid,indole-3-acrylic acid,3-indolylacrylic acid,indole-3beta-acrylic acid,3-1h-indol-3-yl acrylic acid,indole-3-crylic acid,2e-3-1h-indol-3-yl prop-2-enoic acid,trans-3-1h-indol-3-yl acrylic acid,indoleacrylic acid van PubChem CID: 5375048 IUPAC Name: (E)-3-(1H-indol-3-yl)prop-2-enoic acid SMILES: C1=CC=C2C(=C1)C(=CN2)C=CC(=O)O
| PubChem CID | 5375048 |
|---|---|
| CAS | 29953-71-7 |
| Molecular Weight (g/mol) | 187.198 |
| MDL Number | MFCD00005633 |
| SMILES | C1=CC=C2C(=C1)C(=CN2)C=CC(=O)O |
| Synonym | 3-indoleacrylic acid,trans-3-indoleacrylic acid,indole-3-acrylic acid,3-indolylacrylic acid,indole-3beta-acrylic acid,3-1h-indol-3-yl acrylic acid,indole-3-crylic acid,2e-3-1h-indol-3-yl prop-2-enoic acid,trans-3-1h-indol-3-yl acrylic acid,indoleacrylic acid van |
| IUPAC Name | (E)-3-(1H-indol-3-yl)prop-2-enoic acid |
| InChI Key | PLVPPLCLBIEYEA-AATRIKPKSA-N |
| Molecular Formula | C11H9NO2 |